1-(1-cyclohexylpropyl)-3-cyclopropylthiourea

C13H24N2S — CID 115602012

IUPAC1-(1-cyclohexylpropyl)-3-cyclopropylthiourea
SMILESCCC(NC(=S)NC1CC1)C1CCCCC1
InChIInChI=1S/C13H24N2S/c1-2-12(10-6-4-3-5-7-10)15-13(16)14-11-8-9-11/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyVDLLRIUTLGTHRT-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.97
Rot. Bonds4

About 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea

1-(1-cyclohexylpropyl)-3-cyclopropylthiourea (PubChem CID 115602012) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-(1-cyclohexylpropyl)-3-cyclopropylthiourea
PubChem CID115602012
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(1-cyclohexylpropyl)-3-cyclopropylthiourea
SMILESCCC(NC(=S)NC1CC1)C1CCCCC1
InChIInChI=1S/C13H24N2S/c1-2-12(10-6-4-3-5-7-10)15-13(16)14-11-8-9-11/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyVDLLRIUTLGTHRT-UHFFFAOYSA-N
XLogP2.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexylpropylthiourea
CID 62407553
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
N-(1-cyclohexylpropyl)acetamide
CID 45119320
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
1-cyclohexyl-3-(1-phenylpropyl)thiourea
CID 17281987
3-(1-cyclohexylpropylamino)-3-methylbutan-1-ol
CID 115920572
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-(1-cyclobutylpropyl)acetamide
CID 127002620
1-[1-(4-butan-2-ylphenyl)propyl]-3-cyclohexylthiourea
CID 19675584

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea?
The IUPAC name of 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea (CID 115602012) is 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea.
What is the SMILES notation for 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea?
The canonical SMILES for 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea is CCC(NC(=S)NC1CC1)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea?
The InChIKey is VDLLRIUTLGTHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-12(10-6-4-3-5-7-10)15-13(16)14-11-8-9-11/h10-12H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea?
1-(1-cyclohexylpropyl)-3-cyclopropylthiourea has a molecular weight of 240.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropyl)-3-cyclopropylthiourea is sourced from PubChem (CID 115602012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).